SCHEMBL645146

SCHEMBL645146

CC1(OC(=O)C2(O[C]=O)CCCCC2)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9052834 0.98 CYP19A1 (0.33) CYP19A1SCN1ASCN2ASCN3A
SCHEMBL10922421 0.75 SMN1; SMN2 (0.36)
SCHEMBL5677016 0.75 TSHR (0.31)
SCHEMBL133874 0.74 CYP19A1 (0.30) CYP19A1
SCHEMBL4675178 0.74 CYP19A1 (0.30) CYP19A1
SCHEMBL4671938 0.74 CYP19A1 (0.30) CYP19A1
SCHEMBL4945544 0.73 ALDH1A1 (0.35) CYP19A1SCN1ASCN2ASCN3A
SCHEMBL1913377 0.73 CYP19A1 (0.31) CYP19A1
SCHEMBL9123239 0.73 CTSK (0.33)
SCHEMBL18547473 0.73 SMN1; SMN2 (0.36)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119779-B2 Phosphoramidate derivatives UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED 2012-02-21 US disclosed
US-20070275910-A1 Phosphoramidate Derivatives UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2007-11-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070275910-A1 Phosphoramidate Derivatives HRH4, HRH3, NR1H4 CYP19A1 978/4885SCN1A 3314/4885SCN2A 2500/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.